N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide

C13H22N4O — CID 109248625

IUPACN-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCC(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-5-10(4)17-12(18)11-7-15-13(16-8-11)14-6-9(2)3/h7-10H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyDXXRLVUQCAORDY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds6

About N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide

N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide (PubChem CID 109248625) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
PubChem CID109248625
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(NCC(C)C)nc1
InChIInChI=1S/C13H22N4O/c1-5-10(4)17-12(18)11-7-15-13(16-8-11)14-6-9(2)3/h7-10H,5-6H2,1-4H3,(H,17,18)(H,14,15,16)
InChIKeyDXXRLVUQCAORDY-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109248829
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
N-(3,5-dimethylphenyl)-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248721
N-butan-2-yl-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109248917
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109248819
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
N-butan-2-yl-6-(methylamino)pyridine-3-carboxamide
CID 62171833
2-(2-bromo-4-methylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248979

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide (CID 109248625) is N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(NCC(C)C)nc1.
What is the InChIKey of N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
The InChIKey is DXXRLVUQCAORDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-10(4)17-12(18)11-7-15-13(16-8-11)14-6-9(2)3/h7-10H,5-6H2,1-4H3,(H,17,18)(H,14,15,16).
What are the key properties of N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide?
N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methylpropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).